methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate

C11H18F3NO3 — CID 78964217

IUPACmethyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC1CCCO1)CC(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-17-10(16)4-5-15(8-11(12,13)14)7-9-3-2-6-18-9/h9H,2-8H2,1H3
InChIKeyPLHMORHJWHHCQC-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.59
Rot. Bonds6

About methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 78964217) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID78964217
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Namemethyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC1CCCO1)CC(F)(F)F
InChIInChI=1S/C11H18F3NO3/c1-17-10(16)4-5-15(8-11(12,13)14)7-9-3-2-6-18-9/h9H,2-8H2,1H3
InChIKeyPLHMORHJWHHCQC-UHFFFAOYSA-N
XLogP1.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate (CID 78964217) is methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(CC1CCCO1)CC(F)(F)F.
What is the InChIKey of methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is PLHMORHJWHHCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-17-10(16)4-5-15(8-11(12,13)14)7-9-3-2-6-18-9/h9H,2-8H2,1H3.
What are the key properties of methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 269.26 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[oxolan-2-ylmethyl(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 78964217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).